SCHEMBL73095

SCHEMBL73095

c1cc(Nc2nccs2)cc(-c2cnc3ccccn23)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 7/20 0.53
CDK2 P24941 2/20 0.51
CDK1 P06493 1/20 0.51
CDK4 P11802 1/20 0.51
MIF P14174 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.46
KDR P35968 5/20 0.46
FGFR3 P22607 4/20 0.44
FLT3 P36888 2/20 0.44
PIK3CA P42336 1/20 0.43
PLA2G7 Q13093 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL73262 0.83 FGFR3 (0.53) PKMCDK2CDK1CDK4MIF
SCHEMBL72363 0.82 IRAK4 (0.61) PKMCDK2CDK1CDK4MIF
SCHEMBL72956 0.82 CDK2 (0.60) PKMCDK2CDK1CDK4MIF
SCHEMBL74774 0.80 CDK2 (0.53) PKMCDK2CDK1CDK4MIF
SCHEMBL71795 0.78 IRAK4 (0.53) PKMCDK2CDK1CDK4MIF
SCHEMBL73153 0.74 CDK2 (0.58) PKMCDK2CDK1CDK4MIF
SCHEMBL73961 0.74 IRAK4 (0.52) PKMCDK2CDK1CDK4MIF
SCHEMBL73956 0.74 CDK2 (0.48) PKMCDK2CDK1CDK4MIF
SCHEMBL8906815 0.73 PLA2G7 (0.59) PKMCDK2PLA2G7
SCHEMBL73232 0.73 CDK2 (0.52) PKMCDK2CDK1CDK4MIF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8131527-B1 FGFR pharmacophore compounds ASTEX THERAPEUTICS LTD. (GB) 2012-03-06 US disclosed
US-8131527-B1 FGFR pharmacophore compounds ASTEX THERAPEUTICS LTD. (GB) 2012-03-06 US disclosed